Article
Biophysics
Predrag Janjic, Dimitar Solev, Ljupco Kocarev
Summary: This study developed a detailed model of cell membrane voltage dynamics to investigate whether the resting state of post-synaptic neurons is stable. The results showed that an asymmetrical decrease in the conductance of potassium channels can lead to an unstable resting state and induce a more depolarized second stable resting state. This instability would affect various functions of glial cells.
BIOPHYSICAL JOURNAL
(2023)
Article
Chemistry, Physical
Sankaran Nampoothiri
Summary: This study systematically investigates the impact of breaking the rotational symmetry of a surface on the positioning of spots in reaction-diffusion systems. Specifically, we analytically and numerically analyze the steady-state positioning of a single spot on a prolate and an oblate ellipsoid. Linear stability analysis is conducted using perturbative techniques, and the steady-state spot positions of non-linear reaction-diffusion equations are numerically obtained on both ellipsoids. Our findings suggest that preferential spot positioning can be observed on non-spherical surfaces, providing insights into the role of cell geometry in symmetry-breaking mechanisms in cellular processes.
Article
Computer Science, Information Systems
Li Feng, Feng Wang, Jian Zhang, Yong Tang, Jing Zhao, Lisha Zhou, Jiayan Wang, Dongliang Guo, Amit Kumar Singh
Summary: In this paper, a novel method for interactive exploration of cavity calculation and visualization is proposed. It combines solvent-excluded surface models to define cavity boundaries and provides a user-guided interactive interface for cavity selection and tracking, with the selected cavities represented using a rich depth perception method. Experimental results show that the method can effectively identify and calculate cavities.
IEEE JOURNAL OF BIOMEDICAL AND HEALTH INFORMATICS
(2022)
Article
Chemistry, Multidisciplinary
Vivek Mani Tripathi, Hari Mohan Srivastava, Harendra Singh, Chetan Swarup, Sudhanshu Aggarwal
Summary: This paper focuses on numerically solving reaction-diffusion equations using mathematical analytic tools and the Chebyshev spectral collocation method, demonstrating the accuracy of the proposed scheme through graphs and numerical tables. The results were compared with analytical methods to verify the accuracy of the method.
APPLIED SCIENCES-BASEL
(2021)
Review
Engineering, Chemical
Kamyar Kildashti, Kejun Dong, Aibing Yu
Summary: This paper reviews the current status of contact force models for non-spherical particles, focusing on their relationships with the geometrical, material, and mechanical properties of the particles. The aim of the review is to improve the existing simplified contact force models used in discrete element method (DEM) simulations by selecting better models. The review covers contact force models based on the extension of the classical Hertz theory, the effects of different variables on contact force, and tangential force models for non-spherical particles. Based on the review, a set of improved contact force models for DEM is recommended to accurately predict contact force and area in emerging areas such as nanoparticles and additive manufacturing.
Article
Computer Science, Theory & Methods
Michael Minyi Zhang, Sinead A. Williamson, Fernando Perez-Cruz
Summary: This study presents a method to accelerate latent variable model inference by proposing feature locations based on the data, allowing for quick convergence and parallelization.
STATISTICS AND COMPUTING
(2022)
Article
Obstetrics & Gynecology
Noemia A. P. Mariani, Joana Silva, Margarida Fardilha, Erick J. R. Silva
Summary: The high rates of unintended pregnancy and the growing world population pose significant challenges to countries. Expanding male contraceptive options is urgently needed to address these global challenges. Understanding the molecules involved in sperm motility can lead to the development of safe and effective male contraceptives. However, there are challenges in translating preclinical findings into clinical candidates.
HUMAN REPRODUCTION UPDATE
(2023)
Article
Engineering, Electrical & Electronic
Eric Huang, Coleman DeLude, Justin Romberg, Saibal Mukhopadhyay, Madhavan Swaminathan
Summary: This study presents an innovative approach to simulate the complex electromagnetic wave interactions between radar targets using a concise spherical harmonic-based point scatterer model. The results demonstrate that the model can effectively represent the bistatic RCS data of a radar target.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2022)
Article
Multidisciplinary Sciences
Carolina L. Trkulja, Oscar Jungholm, Max Davidson, Kent Jardemark, Monica M. Marcus, Jessica Hagglund, Anders Karlsson, Roger Karlsson, Joseph Bruton, Niklas Ivarsson, Sreesha P. Srinivasa, Alexandra Cavallin, Peder Svensson, Gavin D. M. Jeffries, Maria-Nefeli Christakopoulou, Anna Reymer, Anaswara Ashok, Gabriella Willman, Daniela Papadia, Emma Johnsson, Owe Orwar
Summary: Researchers have developed a new technology to target important drug targets that are difficult to approach with current antibody technologies, successfully producing high-affinity antibodies with programmed pharmacological function, including stimulus-selective antibodies against the widely considered undruggable TRPV1 channel.
Article
Chemistry, Multidisciplinary
Rene Steijl
Summary: The application of Quantum Computing (QC) to fluid dynamics simulation has become a popular research topic due to the potential of QC in speeding up simulations and enabling more detailed modeling. However, there are still many challenges in creating quantum algorithms for fluid modeling, particularly the non-linearity of governing equations. This study investigates the challenges and presents quantum circuits for lattice-based modeling of fluids, as well as a modular quantum-circuit implementation for non-linear terms in multi-dimensional lattice models. Preliminary analysis suggests that meaningful proof-of-concept experiments could be conducted in the near future with a sufficient number of fault-tolerant qubits.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Inorganic & Nuclear
Akankshika Parida, Abhinav Mohanty, Rohit Kumar Raut, Ipsita Padhy, Rabindra K. Behera
Summary: Self-assembled ferritin nanocages effectively scavenge free iron and synthesize iron minerals. Investigation of the pores in ferritin reveals their role in iron uptake and suggests multiple pathways. Altering the electrostatics along these pores affects the ferritin's ferroxidase activity and stability. These findings provide insights into the role of ferritin in iron acquisition and bacterial proliferation.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Ginevra Chioccioli Altadonna, Alberto Montalbano, Jessica Iorio, Andrea Becchetti, Annarosa Arcangeli, Claudia Duranti
Summary: Ion channels, particularly potassium channels like hERG1, play important roles in cancer, and their interaction with beta 1 integrins may provide new therapeutic targets. This study investigated the functional consequences of the interaction between hERG1 and beta 1 integrins on different substrates using patch clamp techniques. The results showed that the activation of beta 1 integrins and specific extracellular matrix proteins influenced the current density and resting potential of hERG1 channels.
Article
Physics, Multidisciplinary
Temitope Yetunde Kolade-Oje, Moses Oludare Ajewole, Joseph Sunday Ojo, Adekunle Titus Adediji
Summary: This study investigates the impact of raindrops on the scattering and attenuation parameters of communication systems, and computes the angular dependence of scattering, extinction, and absorption cross sections for raindrops of different shapes and sizes at various frequencies.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Engineering, Environmental
Hojjat Allah Yonesi, Abbas Parsaie, Azadeh Arshia, Zahra Shamsi
Summary: In this study, discharge modeling was performed in compound open channels with non-prismatic floodplain using soft computation models. The results showed that the developed models had the appropriate accuracy to estimate the flow discharge, with certain parameters having the greatest impact on modeling and estimation.
Article
Chemistry, Analytical
Araz Soltani Nazarloo, Vali Rasooli Sharabiani, Yousef Abbaspour Gilandeh, Ebrahim Taghinezhad, Mariusz Szymanek
Summary: In this study, the non-destructive detection of tomato pesticide residues was investigated using Vis/NIRS and models like PLSR and ANN. The results showed that the SPA-ANN combined model had the best performance, providing a reference for the use of NIR spectroscopy in developing agricultural products.
Article
Operations Research & Management Science
Michel Petitjean
OPTIMIZATION LETTERS
(2020)
Article
Chemistry, Physical
Aurelie Perrier, Matthias Eluard, Michel Petitjean, Anne Vanet
JOURNAL OF PHYSICAL CHEMISTRY B
(2019)
Article
Biochemistry & Molecular Biology
Lydia Benkaidali, Francois Andre, Gautier Moroy, Bahoueddine Tangour, Francois Maurel, Michel Petitjean
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2019)
Article
Multidisciplinary Sciences
Valentin Ozeel, Aurelie Perrier, Anne Vanet, Michel Petitjean
Article
Multidisciplinary Sciences
Michel Petitjean
Article
Chemistry, Multidisciplinary
Michel Petitjean
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Environmental Sciences
Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz, Domenico Alberga, Vinicius M. Alves, Patrik L. Andersson, Carolina H. Andrade, Fang Bai, Ilya Balabin, Davide Ballabio, Emilio Benfenati, Barun Bhhatarai, Scott Boyer, Jingwen Chen, Viviana Consonni, Sherif Farag, Denis Fourches, Alfonso T. Garcia-Sosa, Paola Gramatica, Francesca Grisoni, Chris M. Grulke, Huixiao Hong, Dragos Horvath, Xin Hu, Ruili Huang, Nina Jeliazkova, Jiazhong Li, Xuehua Li, Huanxiang Liu, Serena Manganelli, Giuseppe F. Mangiatordi, Uko Maran, Gilles Marcou, Todd Martin, Eugene Muratov, Dac-Trung Nguyen, Orazio Nicolotti, Nikolai G. Nikolov, Ulf Norinder, Ester Papa, Michel Petitjean, Geven Piir, Pavel Pogodin, Vladimir Poroikov, Xianliang Qiao, Ann M. Richard, Alessandra Roncaglioni, Patricia Ruiz, Chetan Rupakheti, Sugunadevi Sakkiah, Alessandro Sangion, Karl-Werner Schramm, Chandrabose Selvaraj, Imran Shah, Sulev Sild, Lixia Sun, Olivier Taboureau, Yun Tang, Igor Tetko, Roberto Todeschini, Weida Tong, Daniela Trisciuzzi, Alexander Tropsha, George Van Den Driessche, Alexandre Varnek, Zhongyu Wang, Eva B. Wedebye, Antony J. Williams, Hongbin Xie, Alexey Zakharov, Ziye Zheng, Richard S. Judson
ENVIRONMENTAL HEALTH PERSPECTIVES
(2020)
Letter
Chemistry, Multidisciplinary
Michel Petitjean
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Multidisciplinary Sciences
Michel Petitjean
Article
Cell Biology
Pierre Laville, Sandrine Fartek, Natacha Cerisier, Delphine Flatters, Michel Petitjean, Leslie Regad
BMC MOLECULAR AND CELL BIOLOGY
(2020)
Article
Biochemistry & Molecular Biology
Pierre Laville, Michel Petitjean, Leslie Regad
Summary: This study conducted a structural analysis of 31 drug-resistant mutants of HIV-2 protease, revealing the impact of resistance mutations on the inhibitor-binding pockets and interfaces. The findings highlight the importance of prioritizing interactions with backbone atoms to combat drug resistance.
Article
Multidisciplinary Sciences
Michel Petitjean
Summary: There is a need for rigorous and consensual definitions in the field of symmetry, particularly in relation to chirality. Examples of confusing terminology in mathematical and physics literature were provided, with proof that an antisymmetric function can be symmetric under certain metrics. It can exhibit direct-symmetry, achirality, or a combination of both.
Article
Mathematics
Michel Petitjean
Summary: The concept of chirality is discussed in the context of chiral algebra, showing its relationship with the more general chirality definition in the literature. The traditional tools like matrix representation of the orthogonal group or complex numbers are not required in this framework.
Article
Multidisciplinary Sciences
Michel Petitjean
Summary: Local symmetries are usually defined in the context of spacetime, but can also be extended to other areas with the use of groupoids. In many cases, local symmetries can be equivalent to global symmetries and can be handled using groups instead of groupoids. Examples in graphs, networks, color symmetry, and tilings are provided to illustrate these concepts. The definition and application of local symmetry in physics are also discussed in the article.
Article
Mathematics, Interdisciplinary Applications
Michel Petitjean
SYMMETRY-CULTURE AND SCIENCE
(2020)